In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 17 | Yes |
Popular Name: (2R)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-(ethylamino)propan-2-ol (2R)-1-[(4aR,8aS)-3,4,4a,5,6,7,8…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.68 | 5.56 | -101.72 | 4 | 3 | 2 | 41 | 242.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 6.08 | -37.06 | 3 | 3 | 1 | 44 | 241.399 | 5 | ↓ |